General Information of the Compound
| Compound ID |
CP0196001
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| Compound Name |
(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid
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| Structure |
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| Formula |
C11H9NO3
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| Molecular Weight |
203.197
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| Canonical SMILES |
COc1ccc(\C=C(/C#N)C(O)=O)cc1
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| InChI |
InChI=1S/C11H9NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6+
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| InChIKey |
KMHNRJDDHTZZDZ-RMKNXTFCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound